1SJW

Structure of polyketide cyclase SnoaL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-04-14
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.934
Spacegroup name	I 2 2 2
Unit cell lengths	69.100, 72.000, 65.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.030 - 1.350
Rwork	0.143
R-free	0.17600
Structure solution method	SIRAS
Starting model (for MR)	Built by ARP/WARP
RMSD bond length	0.013
RMSD bond angle	1.150
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Refinement software	SHELXL

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.030	1.420
High resolution limit [Å]	1.350	1.350
Number of reflections	35447
<I/σ(I)>	23.3	3.4
Completeness [%]	98.5	98.5
Redundancy	11.3	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG4000, Tris HCl, Na Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	PEG4000, Tris HCl, Na Acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K